3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one

C9H15NO3 — CID 130667010

IUPAC3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one
SMILESCC1CC(N2CC[C@@H](O)C2)C(=O)O1
InChIInChI=1S/C9H15NO3/c1-6-4-8(9(12)13-6)10-3-2-7(11)5-10/h6-8,11H,2-5H2,1H3/t6?,7-,8?/m1/s1
InChIKeyQIPBDWDIWZOKEO-ZUEIMRROSA-N
MW185.22 g/mol
LogP-0.24
Rot. Bonds1

About 3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one

3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one (PubChem CID 130667010) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one
PubChem CID130667010
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one
SMILESCC1CC(N2CC[C@@H](O)C2)C(=O)O1
InChIInChI=1S/C9H15NO3/c1-6-4-8(9(12)13-6)10-3-2-7(11)5-10/h6-8,11H,2-5H2,1H3/t6?,7-,8?/m1/s1
InChIKeyQIPBDWDIWZOKEO-ZUEIMRROSA-N
XLogP-0.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one?
The IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one (CID 130667010) is 3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one.
What is the SMILES notation for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one?
The canonical SMILES for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one is CC1CC(N2CC[C@@H](O)C2)C(=O)O1.
What is the InChIKey of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one?
The InChIKey is QIPBDWDIWZOKEO-ZUEIMRROSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-4-8(9(12)13-6)10-3-2-7(11)5-10/h6-8,11H,2-5H2,1H3/t6?,7-,8?/m1/s1.
What are the key properties of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one?
3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one has a molecular weight of 185.22 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 130667010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).